[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C25H29NO4 MolecularWeight: 407.50206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H29NO4/c1-4-19-9-7-8-14-26(19)23(27)16-30-25(29)21-11-6-5-10-20(21)24(28)22-15-17(2)12-13-18(22)3/h5-6,10-13,15,19H,4,7-9,14,16H2,1-3H3/t19-/m0/s1